N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C21H25N3O4 — CID 34085528

IUPACN-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(13-17)23-20(25)14-22-16-7-5-6-15(12-16)21(26)24-10-3-4-11-24/h5-9,12-13,22H,3-4,10-11,14H2,1-2H3,(H,23,25)
InChIKeyWXJJZIJSWMOLKU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.99
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 34085528) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID34085528
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(13-17)23-20(25)14-22-16-7-5-6-15(12-16)21(26)24-10-3-4-11-24/h5-9,12-13,22H,3-4,10-11,14H2,1-2H3,(H,23,25)
InChIKeyWXJJZIJSWMOLKU-UHFFFAOYSA-N
XLogP2.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 34085528) is N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is COc1ccc(OC)c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is WXJJZIJSWMOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(13-17)23-20(25)14-22-16-7-5-6-15(12-16)21(26)24-10-3-4-11-24/h5-9,12-13,22H,3-4,10-11,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 34085528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).